Geometry & MOs

Info

ID:	432296
PubChem CID:	135172429
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	335.057592
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7,7-dimethyl-1,1,3-trioxocyclohepta[d][1,2]thiazol-2-yl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C=CC=C2C(=C1)CN(C2=O)C3=CNC(=O)N(C3=O)O)C

DOS

IR

Vibrations